(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

C11H12ClF4N — CID 171196381

IUPAC(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.Fc1c([C@@H]2CCCN2)cccc1C(F)(F)F
InChIInChI=1S/C11H11F4N.ClH/c12-10-7(9-5-2-6-16-9)3-1-4-8(10)11(13,14)15;/h1,3-4,9,16H,2,5-6H2;1H/t9-;/m0./s1
InChIKeyMROPWLCSOQBKRG-FVGYRXGTSA-N
MW269.67 g/mol
LogP3.69
Rot. Bonds1

About (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride

(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (PubChem CID 171196381) has the molecular formula C11H12ClF4N and a molecular weight of 269.67 g/mol. Its IUPAC name is (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
PubChem CID171196381
Molecular FormulaC11H12ClF4N
Molecular Weight269.67 g/mol
Exact Mass269.06
IUPAC Name(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
SMILESCl.Fc1c([C@@H]2CCCN2)cccc1C(F)(F)F
InChIInChI=1S/C11H11F4N.ClH/c12-10-7(9-5-2-6-16-9)3-1-4-8(10)11(13,14)15;/h1,3-4,9,16H,2,5-6H2;1H/t9-;/m0./s1
InChIKeyMROPWLCSOQBKRG-FVGYRXGTSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-(5-fluoro-2-pyrrolidin-2-ylphenyl)-3-(trifluoromethyl)pyridine
CID 46200904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride (CID 171196381) is (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is Cl.Fc1c([C@@H]2CCCN2)cccc1C(F)(F)F.
What is the InChIKey of (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
The InChIKey is MROPWLCSOQBKRG-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H11F4N.ClH/c12-10-7(9-5-2-6-16-9)3-1-4-8(10)11(13,14)15;/h1,3-4,9,16H,2,5-6H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride?
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride has a molecular weight of 269.67 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 171196381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).